[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide

C5H9N3O4S — CID 141057979

IUPAC[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide
SMILESC[C@]1(CS(N)(=O)=O)NC(=O)NC1=O
InChIInChI=1S/C5H9N3O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,6,11,12)(H2,7,8,9,10)/t5-/m1/s1
InChIKeyBXNKDFDRWOHDJT-RXMQYKEDSA-N
MW207.21 g/mol
LogP-2.13
Rot. Bonds2

About [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide

[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide (PubChem CID 141057979) has the molecular formula C5H9N3O4S and a molecular weight of 207.21 g/mol. Its IUPAC name is [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide
PubChem CID141057979
Molecular FormulaC5H9N3O4S
Molecular Weight207.21 g/mol
Exact Mass207.03
IUPAC Name[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide
SMILESC[C@]1(CS(N)(=O)=O)NC(=O)NC1=O
InChIInChI=1S/C5H9N3O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,6,11,12)(H2,7,8,9,10)/t5-/m1/s1
InChIKeyBXNKDFDRWOHDJT-RXMQYKEDSA-N
XLogP-2.13
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-methyl-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59710540
5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 47003415
1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
CID 69288109
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide
CID 175078426
(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
CID 87530078
(5R)-5-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]imidazolidine-2,4-dione
CID 99978564
(5S)-5-methyl-5-[[(2S)-pyrrolidin-2-yl]methyl]imidazolidine-2,4-dione
CID 99978559
(5S)-5-methyl-5-[[4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 67351634
(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 124672916
(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione
CID 70145040
(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 59794423
5-[[4-(4-chlorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133502

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide?
The IUPAC name of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide (CID 141057979) is [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide.
What is the SMILES notation for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide?
The canonical SMILES for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide is C[C@]1(CS(N)(=O)=O)NC(=O)NC1=O.
What is the InChIKey of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide?
The InChIKey is BXNKDFDRWOHDJT-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9N3O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,6,11,12)(H2,7,8,9,10)/t5-/m1/s1.
What are the key properties of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide?
[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide has a molecular weight of 207.21 g/mol, XLogP of -2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide is sourced from PubChem (CID 141057979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).